1,3-oxazol-5-ylmethanamine

• ChemBase ID: 289378
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: NCc1cnco1
• Canonical SMILES: NCc1cnco1
• InChI: InChI=1S/C4H6N2O/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
• InChIKey: ZPIDZCBCCUTEEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazol-5-ylmethanamine
• IUPAC Traditional name: 1,3-oxazol-5-ylmethanamine
• Synonyms: Oxazol-5-ylmethanamine

Database IDs

• CAS Number: 847644-09-1
• PubChem SID: 180674909
• PubChem CID: 23404337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2465565
• LogD (pH = 7.4): -1.5659714
• Log P: -1.0390933
• Molar Refractivity: 25.1183 cm^3
• Polarizability: 9.694477 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%